[4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol

C13H18ClNO4S — CID 102970851

IUPAC[4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
SMILESCOC1CCCN(S(=O)(=O)c2cc(CO)ccc2Cl)C1
InChIInChI=1S/C13H18ClNO4S/c1-19-11-3-2-6-15(8-11)20(17,18)13-7-10(9-16)4-5-12(13)14/h4-5,7,11,16H,2-3,6,8-9H2,1H3
InChIKeyGSCYGBYWCRFZEP-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.63
Rot. Bonds4

About [4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol

[4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol (PubChem CID 102970851) has the molecular formula C13H18ClNO4S and a molecular weight of 319.81 g/mol. Its IUPAC name is [4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol.

Molecular Properties

Compound Name[4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
PubChem CID102970851
Molecular FormulaC13H18ClNO4S
Molecular Weight319.81 g/mol
Exact Mass319.06
IUPAC Name[4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
SMILESCOC1CCCN(S(=O)(=O)c2cc(CO)ccc2Cl)C1
InChIInChI=1S/C13H18ClNO4S/c1-19-11-3-2-6-15(8-11)20(17,18)13-7-10(9-16)4-5-12(13)14/h4-5,7,11,16H,2-3,6,8-9H2,1H3
InChIKeyGSCYGBYWCRFZEP-UHFFFAOYSA-N
XLogP1.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-chloro-3-(3-methoxy-4-methylpiperidin-1-yl)sulfonylphenyl]methanol
CID 102970791
[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol
CID 102970801
1-[5-(chloromethyl)-2,3-dimethylphenyl]sulfonyl-3-methoxypiperidine
CID 102969093
[4-chloro-3-[3-(methoxymethyl)piperidin-1-yl]sulfonylphenyl]methanamine
CID 106590007
[4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol
CID 102970827
[4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylphenyl]methanol
CID 104961448
3-[4-(3-methoxypiperidin-1-yl)sulfonylphenyl]propan-1-ol
CID 102970802
[3-bromo-5-(3-methoxypyrrolidin-1-yl)sulfonyl-4-methylphenyl]methanol
CID 103541087
4-chloro-3-(3-methoxypyrrolidin-1-yl)sulfonylbenzonitrile
CID 103533540
1-(2-chloro-5-nitrophenyl)sulfonyl-3-methoxypyrrolidine
CID 103532779
1-[4-(bromomethyl)phenyl]sulfonyl-3-methoxypiperidine
CID 102963933
2-chloro-4-(3-methoxypiperidin-1-yl)sulfonylpyridine
CID 102957078

Frequently Asked Questions

What is the IUPAC name of [4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol?
The IUPAC name of [4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol (CID 102970851) is [4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol.
What is the SMILES notation for [4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol?
The canonical SMILES for [4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol is COC1CCCN(S(=O)(=O)c2cc(CO)ccc2Cl)C1.
What is the InChIKey of [4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol?
The InChIKey is GSCYGBYWCRFZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO4S/c1-19-11-3-2-6-15(8-11)20(17,18)13-7-10(9-16)4-5-12(13)14/h4-5,7,11,16H,2-3,6,8-9H2,1H3.
What are the key properties of [4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol?
[4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol has a molecular weight of 319.81 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-3-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanol is sourced from PubChem (CID 102970851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).